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SummaryGeometryRelated PDB entries

7PY

Summary
Name:7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
Formula:C20 H19 N5 O3
Formal charge:0
Formula weight:377.397 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.047-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
OpenEye OEToolkits1.5.07-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1cc3c(nc1Nc2cc(OC)c(OC)c(OC)c2)n(cc3)c4ncccc4
SMILES_CANONICALCACTVS3.341COc1cc(Nc2ncc3ccn(c4ccccn4)c3n2)cc(OC)c1OC
SMILESCACTVS3.341COc1cc(Nc2ncc3ccn(c4ccccn4)c3n2)cc(OC)c1OC
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4ccccn4
SMILESOpenEye OEToolkits1.5.0COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4ccccn4
InChIInChI1.03InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24)
InChIKeyInChI1.03YENZSPIOXMNEFF-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

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